Reaction Details
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Nuclear receptor ROR-gamma
Ligand
BDBM50586392
Substrate
n/a
Meas. Tech.
ChEMBL_2168563 (CHEMBL5053622)
Ki
278±n/a nM
Citation
Lugar, CW; Clarke, CA; Morphy, R; Rudyk, H; Sapmaz, S; Stites, RE; Vaught, GM; Furness, K; Broughton, HB; Durst, GL; Clawson, DK; Stout, SL; Guo, SY; Durbin, JD; Stayrook, KR; Edmondson, DD; Kikly, K; New, NE; Bina, HA; Chambers, MG; Shetler, P; Chang, WY; Chang, VC; Barr, R; Gough, WH; Steele, JP; Getman, B; Patel, N; Mathes, BM; Richardson, TI Defining Target Engagement Required for Efficacy J Med Chem 64:5470-5484 (2021) [PubMed] Article More Info.:
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58218.40
Organism:
Homo sapiens (Human)
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
Inhibitor
Name:
BDBM50586392
Synonyms:
CHEMBL5082586
Type:
Small organic molecule
Emp. Form.:
C28H29N3O4S2
Mol. Mass.:
535.678
SMILES:
CS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(Cc5ccc(cc5)C#N)CC4)c3s2)cc1
Structure:
